N-(2,3-dimethylphenyl)-1,3-dihydroisoindole-2-carboxamide

C17H18N2O — CID 123680742

IUPACN-(2,3-dimethylphenyl)-1,3-dihydroisoindole-2-carboxamide
SMILESCc1cccc(NC(=O)N2Cc3ccccc3C2)c1C
InChIInChI=1S/C17H18N2O/c1-12-6-5-9-16(13(12)2)18-17(20)19-10-14-7-3-4-8-15(14)11-19/h3-9H,10-11H2,1-2H3,(H,18,20)
InChIKeyPXBTZPAIVIKEKD-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.85
Rot. Bonds1

About N-(2,3-dimethylphenyl)-1,3-dihydroisoindole-2-carboxamide

N-(2,3-dimethylphenyl)-1,3-dihydroisoindole-2-carboxamide (PubChem CID 123680742) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-1,3-dihydroisoindole-2-carboxamide
PubChem CID123680742
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-(2,3-dimethylphenyl)-1,3-dihydroisoindole-2-carboxamide
SMILESCc1cccc(NC(=O)N2Cc3ccccc3C2)c1C
InChIInChI=1S/C17H18N2O/c1-12-6-5-9-16(13(12)2)18-17(20)19-10-14-7-3-4-8-15(14)11-19/h3-9H,10-11H2,1-2H3,(H,18,20)
InChIKeyPXBTZPAIVIKEKD-UHFFFAOYSA-N
XLogP3.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,5-difluoro-4-methylphenyl)-1,3-dihydroisoindole-2-carboxamide
CID 167772232
2-(1,3-dihydroisoindole-2-carbonylamino)benzoic acid
CID 62230167
N-(2,3-dimethylphenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111604
N-(2,3-dimethylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113111919
N-(2-methylphenyl)azepane-1-carboxamide
CID 19165583
4-[bis(4-fluorophenyl)methyl]-N-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 4988036
(3R)-2-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 95075316
2-(2,3-dimethylanilino)-N-(2,3-dimethylphenyl)-2-sulfanylideneacetamide
CID 3596672
4-[3-(dimethylamino)-3-oxopropyl]-N-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 71917913
N-(2,3-dimethylphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105204
N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 17297980
N-(2,3-dimethylphenyl)-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-carboxamide
CID 20888402

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-1,3-dihydroisoindole-2-carboxamide (CID 123680742) is N-(2,3-dimethylphenyl)-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-1,3-dihydroisoindole-2-carboxamide is Cc1cccc(NC(=O)N2Cc3ccccc3C2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is PXBTZPAIVIKEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-6-5-9-16(13(12)2)18-17(20)19-10-14-7-3-4-8-15(14)11-19/h3-9H,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-(2,3-dimethylphenyl)-1,3-dihydroisoindole-2-carboxamide?
N-(2,3-dimethylphenyl)-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 123680742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).